3-chloro-2-octoxypyridine-4-carboximidamide

C14H22ClN3O — CID 107060534

IUPAC3-chloro-2-octoxypyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCCCCCCCC)c1Cl
InChIInChI=1S/C14H22ClN3O/c1-2-3-4-5-6-7-10-19-14-12(15)11(13(16)17)8-9-18-14/h8-9H,2-7,10H2,1H3,(H3,16,17)
InChIKeyYCUVBXLLLCTIQG-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.76
Rot. Bonds9

About 3-chloro-2-octoxypyridine-4-carboximidamide

3-chloro-2-octoxypyridine-4-carboximidamide (PubChem CID 107060534) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-2-octoxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-octoxypyridine-4-carboximidamide
PubChem CID107060534
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-chloro-2-octoxypyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCCCCCCCC)c1Cl
InChIInChI=1S/C14H22ClN3O/c1-2-3-4-5-6-7-10-19-14-12(15)11(13(16)17)8-9-18-14/h8-9H,2-7,10H2,1H3,(H3,16,17)
InChIKeyYCUVBXLLLCTIQG-UHFFFAOYSA-N
XLogP3.76
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-chloro-2-octoxypyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
2-hexoxypyridine-3-carboximidamide
CID 29002899
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-butoxypyrazine-2-carboximidamide
CID 62685425
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
4-octoxybenzenecarboximidamide
CID 3302492

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-octoxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-octoxypyridine-4-carboximidamide (CID 107060534) is 3-chloro-2-octoxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-octoxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-octoxypyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCCCCCCCC)c1Cl.
What is the InChIKey of 3-chloro-2-octoxypyridine-4-carboximidamide?
The InChIKey is YCUVBXLLLCTIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-3-4-5-6-7-10-19-14-12(15)11(13(16)17)8-9-18-14/h8-9H,2-7,10H2,1H3,(H3,16,17).
What are the key properties of 3-chloro-2-octoxypyridine-4-carboximidamide?
3-chloro-2-octoxypyridine-4-carboximidamide has a molecular weight of 283.80 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-octoxypyridine-4-carboximidamide is sourced from PubChem (CID 107060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).